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CAS 524944-72-7

:

1-butyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3-(3-hydroxypropyl)-3,7-dihydro-1H-purine-2,6-dione

Description:
1-Butyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3-(3-hydroxypropyl)-3,7-dihydro-1H-purine-2,6-dione, with CAS number 524944-72-7, is a complex organic compound characterized by its unique structural features, including a purine base and various substituents that contribute to its biological activity. The presence of a butyl group and a hydroxypropyl group suggests potential hydrophobic and hydrophilic interactions, which may influence its solubility and bioavailability. The hexahydro-2,5-methanopentalene moiety adds to its structural complexity, potentially affecting its conformational flexibility and interaction with biological targets. This compound may exhibit pharmacological properties, possibly acting as a modulator of biological pathways due to its purine core, which is a common scaffold in many biologically active molecules. Its specific characteristics, such as melting point, solubility, and reactivity, would depend on the precise arrangement of its functional groups and the overall molecular conformation. Further studies would be necessary to elucidate its full range of properties and potential applications in medicinal chemistry.
Formula:C21H30N4O3
InChI:InChI=1/C21H30N4O3/c1-2-3-5-25-18(27)16-17(24(20(25)28)6-4-7-26)23-19(22-16)21-11-13-8-14(12-21)10-15(21)9-13/h13-15,26H,2-12H2,1H3,(H,22,23)
SMILES:CCCCn1c(=O)c2c([nH]c(C34CC5CC(CC4C5)C3)n2)n(CCCO)c1=O
Synonyms:
  • 1-Butyl-3-(3-hydroxypropyl)-8-(tricyclo[3.3.1.03,7
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